Geometry & MOs

Info

ID:	235014
PubChem CID:	92303883
Reduced:	F2N2O4H20C21 (1)
Stoich.:	A2B2C4D20E21 (1)
Weight, g/mol:	402.139113
ΔH_f, kcal/mol:	-205.26
Dipole, Da:	3.66
IP(EA), eV:	-9.22(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-4-[(2-fluorophenoxy)methyl]-6-(2-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)N[C@@H]1C2=CC=CC=C2F)C)COC3=CC=CC=C3F

DOS

IR

Vibrations